BioLiP

PDB

BioLiP

PDB CCD ID:

W4S

Number of entries in BioLiP:

Chemical formula:

C7 H8 N4

InChI:

InChI=1S/C7H8N4/c1-11-3-2-5-6(8)9-4-10-7(5)11/h2-4H,1H3,(H2,8,9,10)

InChIKey:

KSOREMDAQHJJKY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cn2ccc1c(ncnc12)N
CACTVS 3.385	Cn1ccc2c(N)ncnc12
OpenEye OEToolkits 2.0.7	Cn1ccc2c1ncnc2N

Name:

7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

ZINC:

ZINC000001674697

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).